SCHEMBL31293891

SCHEMBL31293891

CN(C(=O)Nc1cccc(C(F)(F)C(F)(F)F)c1)C1CC2(C1)CN(C(=O)c1cnn3ccn(C)c13)C2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.37
CXCR3 P49682 1/20 0.36
DCUN1D1 Q96GG9 10/20 0.35
UBE2M P61081 9/20 0.35
EPHX2 P34913 1/20 0.34
USP2 O75604 2/20 0.34
HIF1A Q16665 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
LMNA P02545 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31293889 0.95 POLB (0.48) POLBRAB9ATP53CXCR3DCUN1D1
SCHEMBL31293754 0.90 POLB (0.32) POLBRAB9A
SCHEMBL31293652 0.89 POLB (0.42) POLBRAB9ATP53CXCR3DCUN1D1
SCHEMBL31293689 0.88 POLB (0.36) POLBRAB9ACXCR3USP2HIF1A
SCHEMBL31293888 0.87 SYK (0.36)
SCHEMBL31293575 0.87 POLB (0.36) POLBRAB9ACXCR3DCUN1D1UBE2M
SCHEMBL31293613 0.87 POLB (0.36) POLBRAB9ATP53CXCR3EPHX2
SCHEMBL31293582 0.86 EPHX2 (0.41) DCUN1D1UBE2MEPHX2
SCHEMBL31293734 0.86 POLB (0.35) POLBRAB9ACXCR3
SCHEMBL31293836 0.85 UBE2M (0.36) POLBRAB9ADCUN1D1UBE2MUSP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4724439-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2026-04-15 EP claimed
WO-2024251855-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-12-12 WO claimed